| 種別 | プログラム | バージョン | 表記 |
| SMILES | ACDLabs | 12.01 | CS(=O)(=O)NC4=CC3=CC=1C(N=NC=1NCc2c(cccc2C)C)=C3C=C4OC |
| InChI | InChI | 1.03 | InChI=1S/C21H22N4O3S/c1-12-6-5-7-13(2)17(12)11-22-21-16-8-14-9-18(25-29(4,26)27)19(28-3)10-15(14)20(16)23-24-21/h5-10,25H,11H2,1-4H3,(H,22,24) |
| InChIKey | InChI | 1.03 | YLMQFWXDIVNPGV-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COC1=CC2=C3N=NC(=C3C=C2C=C1N[S](C)(=O)=O)NCc4c(C)cccc4C |
| SMILES | CACTVS | 3.385 | COC1=CC2=C3N=NC(=C3C=C2C=C1N[S](C)(=O)=O)NCc4c(C)cccc4C |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | Cc1cccc(c1CNC2=C3C=C4C=C(C(=CC4=C3N=N2)OC)NS(=O)(=O)C)C |
| SMILES | OpenEye OEToolkits | 2.0.6 | Cc1cccc(c1CNC2=C3C=C4C=C(C(=CC4=C3N=N2)OC)NS(=O)(=O)C)C |
